TNNC1

Reference Set (80 Compounds)

$CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C\C(=O)C(C)(C)C ZINC000003367236$

ZINC000003367236 (search)

$CCOC(=O)/C(=C/C=C1\Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O ZINC000005128648$

ZINC000005128648 (search)

$CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000013153528$

ZINC000013153528 (search)

CSc1ccc([C@@H]2C(C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000008969363

ZINC000008969363 (search)

$Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(NCCCOC(C)C)nc12 ZINC000002257680$

ZINC000002257680 (search)

O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000000971139

ZINC000000971139 (search)

O=[N+]([O-])c1ccc(N2CCCCCC2)c2nonc12 ZINC000004006786

ZINC000004006786 (search)

$N#C/C(=C\c1ccc(N2CCOCC2)o1)c1nc2ccccc2[nH]1 ZINC000004134673$

ZINC000004134673 (search)

$CCN(CC)c1ccc(/C=C2\C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 ZINC000000180531$

ZINC000000180531 (search)

O=c1ccc2c(-c3ccccc3S(=O)(=O)O)c3ccc(O)c(O)c3oc-2c1O ZINC000003861600

ZINC000003861600 (search)

$CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1CC(=O)NC(N)=O ZINC000012565871$

ZINC000012565871 (search)

N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1 ZINC000004645085

ZINC000004645085 (search)

O=C(O[C@@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@@H]2O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000008829482

ZINC000008829482 (search)

COc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1OC ZINC000013476679

ZINC000013476679 (search)

$Cc1ccnc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 ZINC000006795323$

ZINC000006795323 (search)

$CN1CCS/C1=C/C=C1\SC(=S)N(CC(=O)O)C1=O ZINC000004013581$

ZINC000004013581 (search)

$CC/N=C1\S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C(=O)N1CC ZINC000001006011$

ZINC000001006011 (search)

O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc(Cl)cc1Cl ZINC000008855211

ZINC000008855211 (search)

COc1cc(N2CCCC2)c(OC)cc1/C=C1/N=C(S)NC1=O ZINC000000368230

ZINC000000368230 (search)

Nc1ccc2nc3c(=O)[nH]c(=S)[nH]c3nc2c1 ZINC000009312930

ZINC000009312930 (search)

O=c1ccc2ccc3ccccn3c-2c1 ZINC000377833867

ZINC000377833867 (search)

$COc1ccccc1/C=C/C=C1\Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O ZINC000020533280$

ZINC000020533280 (search)

CN(/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000004995980

ZINC000004995980 (search)

$Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 ZINC000013496541$

ZINC000013496541 (search)

CCN1C(=O)/C(=C/C=C2/SCCN2C)SC1=S ZINC000000988776

ZINC000000988776 (search)

Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1N1CCCC1 ZINC000000466421

ZINC000000466421 (search)

$COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1 ZINC000004812352$

ZINC000004812352 (search)

O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3[N+](=O)[O-])c-2cc1O ZINC000004016936

ZINC000004016936 (search)

O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O ZINC000169335484

ZINC000169335484 (search)

O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1cccc(O)c1 ZINC000004812415

ZINC000004812415 (search)

C=CCn1c(=O)[nH]c2nc3cc(/N=C/N(C)C)c(C)cc3nc2c1=O ZINC000100290995

ZINC000100290995 (search)

C=CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 ZINC000004932886

ZINC000004932886 (search)

CN(C)c1ccc(-c2cc(=O)c3cc(C#Cc4cccc(N)c4)ccc3o2)cc1 ZINC000100564966

ZINC000100564966 (search)

$COc1ccc(NC2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1 ZINC000013477710$

ZINC000013477710 (search)

Cc1ccc[n+](-c2[nH]c(=O)sc2C=O)c1 ZINC000015953362

ZINC000015953362 (search)

CN1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)NC1=S ZINC000000478869

ZINC000000478869 (search)

CC[C@]1(C)OC(c2ccccc2)=C/C(=C/C=C2C(=O)NC(=O)NC2=O)O1 ZINC000004853681

ZINC000004853681 (search)

COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1c(C)[nH]c2ccccc12 ZINC000008671597

ZINC000008671597 (search)

$COc1ccc(OC)c(/C=C2\N=C(c3ccccc3)OC2=O)c1 ZINC000000059267$

ZINC000000059267 (search)

CCN1C(=O)/C(=C/c2cc(C)n(C)c2C)SC1=S ZINC000001162058

ZINC000001162058 (search)

O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O ZINC000169296903

ZINC000169296903 (search)

$CCN(CC)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(O)c1 ZINC000000656914$

ZINC000000656914 (search)

Cc1c(O)c2c3c(cccc3c1O)C(=O)N(c1ccccc1)C2=O ZINC000006493247

ZINC000006493247 (search)

S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000001163525

ZINC000001163525 (search)

O=c1oc2c(cc1O)oc(=O)c1cc(O)c(O)c(O)c12 ZINC000013152238

ZINC000013152238 (search)

CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c32 ZINC000000441476

ZINC000000441476 (search)

O=C(O)c1cccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000003641751

ZINC000003641751 (search)

O=c1cccc2cc(O)c(O)c(O)c2c1O ZINC000013132551

ZINC000013132551 (search)

CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1 ZINC000017822061

ZINC000017822061 (search)

CCCN1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 ZINC000000870367

ZINC000000870367 (search)

O=S(=O)(O)c1ccc(O)c2cc(Nc3ccccc3)ccc12 ZINC000001577004

ZINC000001577004 (search)

O=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1 ZINC000000227559

ZINC000000227559 (search)

$COc1ccc(N/C=C2\C(=O)CCc3c2oc2cc(Cl)c(O)c(Cl)c32)cc1 ZINC000005487838$

ZINC000005487838 (search)

Cc1cc(N2CCCC2)ccc1C=C(C#N)C#N ZINC000000573877

ZINC000000573877 (search)

CN(/N=C/c1ccc(N(C)C)cc1)C1=NS(=O)(=O)c2ccccc21 ZINC000000084562

ZINC000000084562 (search)

$CCSC1=N/C(=C\C=C2/Oc3ccccc3N2CC)C(=O)S1 ZINC000004713926$

ZINC000004713926 (search)

$COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1O ZINC000003902665$

ZINC000003902665 (search)

$Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccccc1O ZINC000013554272$

ZINC000013554272 (search)

CCN1C(=O)C(=CNc2ccc(N3CCOCC3)cc2)C(=O)N(CC)C1=S ZINC000005823301

ZINC000005823301 (search)

$COC(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013556780$

ZINC000013556780 (search)

c1ccc2nc3cc4[nH]cnc4cc3nc2c1 ZINC000006045739

ZINC000006045739 (search)

CCN1C(=O)/C(=C/N2CCc3ccccc32)SC1=S ZINC000002407211

ZINC000002407211 (search)

Cc1ccc(N2C(=O)NC(=O)/C(=C/C=C/Nc3ccccc3)C2=O)cc1 ZINC000006897974

ZINC000006897974 (search)

CCn1nc(-c2ccccc2)c2nc3ccccc3nc21 ZINC000004296026

ZINC000004296026 (search)

CN(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000252589633

ZINC000252589633 (search)

C=CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N=C1S ZINC000001275637

ZINC000001275637 (search)

$CCN(CC)c1ccc(/C=C2\SC(=N)NC2=O)cc1 ZINC000018082613$

ZINC000018082613 (search)

Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cn(C)nc3C)C3=C2CC(C)(C)CC3=O)cc1 ZINC000000872096

ZINC000000872096 (search)

O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948775

ZINC000061948775 (search)

$N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1 ZINC000000520048$

ZINC000000520048 (search)

$CN1C(=O)/C(=C/C=C2\SCCN2C)OC1=S ZINC000013544301$

ZINC000013544301 (search)

COc1cccc(/C=N/Nc2nc3ccccc3n3cnnc23)c1O ZINC000004793411

ZINC000004793411 (search)

CCCN1C=CC(=CC=C(C#N)C#N)C=C1 ZINC000000405379

ZINC000000405379 (search)

Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1 ZINC000008683277

ZINC000008683277 (search)

CCOC(=O)/C(=C/C1=C/C(=C/N(C)C)C(=O)O1)C(C)=O ZINC000032010855

ZINC000032010855 (search)

COc1ccc2ccccc2c1[C@@H](O)c1nccn1C ZINC000000143570

ZINC000000143570 (search)

CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1 ZINC000004631489

ZINC000004631489 (search)

$CCOc1cc(/C=C2\N=C(S[C@@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O ZINC000009031598$

ZINC000009031598 (search)

N=C(N)c1ccc(/N=N/c2c(O)ccc3c2[nH]c2ccccc23)cc1 ZINC000003954602

ZINC000003954602 (search)

CN1CCC2(CC1)[C@@H]1CN(C)CC=C1C(C#N)=C(N)C2(C#N)C#N ZINC000019816485

ZINC000019816485 (search)